F0825-0158
TL;DR: F0825-0158 (CAS 315679-53-9) is a chemical compound with molecular formula C27H24F3N3O2S2 and molecular weight 543.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: F0825-0158, 10-[(2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-oxoethyl)sulfanyl]-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3-allyl-2-((2-(2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-(2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl}-2-oxoethylthio)-3 -prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-on e
| Molecular Formula | C27H24F3N3O2S2 |
|---|---|
| Molecular Weight | 543.13 g/mol |
| LogP | 6.53404 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1262 |
| Heavy Atoms | 37 |
| Complexity | 1611.8236 |
Chemical Identifiers
| CAS Number | 315679-53-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C |
Product Overview
F0825-0158 (CAS 315679-53-9), with molecular formula C27H24F3N3O2S2 and molecular weight 543.13 g/mol. IUPAC: 10-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of F0825-0158
Property Insights of F0825-0158
The XLogP value of 6.53404 indicates that F0825-0158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, F0825-0158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0825-0158 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0825-0158?
The CAS number of F0825-0158 is 315679-53-9.
What is the molecular formula of F0825-0158?
The molecular formula of F0825-0158 is C27H24F3N3O2S2.
What is the molecular weight of F0825-0158?
The molecular weight of F0825-0158 is 543.13 g/mol.
Where can I buy F0825-0158?
You can request a quote for F0825-0158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0825-0158?
Yes, KEHONG BIO provides custom synthesis services for F0825-0158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.